No. | Feature | Dimension |
---|---|---|
1 | One-hot encoding of the atom element | 44 |
2 | One-hot encoding of the degree of the atom in the molecule, which is the 11 number of directly-bonded neighbors (atoms) | 11 |
3 | One-hot encoding of the total number of H bound to the atom | 11 |
4 | One-hot encoding of the number of implicit H bound to the atom | 11 |
5 | Whether the atom is aromatic | 1 |
All | 78 |